3-(1-adamantyl)-4-sulfanyl-benzoic acid

Systemtic Name: 3-(1-adamantyl)-4-sulfanyl-benzoic acid Openeye Name: 3-(1-adamantyl)-4-sulfanyl-benzoic acid CAS Name: 3-(1-adamantyl)-4-mercaptobenzoic acid IUPAC Name: 3-(1-adamantyl)-4-sulfanylbenzoic acid Traditional Name: 3-(1-adamantyl)-4-mercapto-benzoic acid Formula: C17H20O2S MolecularWeight: 288.4045

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)O)S

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)O)S

InChI

InChI=1S/C17H20O2S/c18-16(19)13-1-2-15(20)14(6-13)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,20H,3-5,7-9H2,(H,18,19)